SCHEMBL30111754

SCHEMBL30111754

CCOc1ccc(-c2cnn(Cc3c(-c4ccc(Cl)cc4F)nnn3C)c(=O)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.37
SIGMAR1 Q99720 1/20 0.34
MCHR1 Q99705 1/20 0.34
GRIN2B Q13224 3/20 0.33
GABRA5 P31644 1/20 0.33
GRIN1 Q05586 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTGES O14684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SYK P43405 1/20 0.31
CTSA P10619 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26098995 1.00 GRM2 (0.37) GRM2SIGMAR1MCHR1GRIN2BGABRA5
SCHEMBL24034800 0.92 EPHB4 (0.38) GRM2SIGMAR1MCHR1GRIN2BGRIN1
SCHEMBL30111760 0.92 EPHB4 (0.38) GRM2SIGMAR1MCHR1GRIN2BGRIN1
SCHEMBL30111769 0.88 GRM2 (0.34) GRM2SIGMAR1MCHR1GRIN2BGRIN1
SCHEMBL24034799 0.88 GRM2 (0.34) GRM2SIGMAR1MCHR1GRIN2BGRIN1
SCHEMBL24034872 0.88 GRM2 (0.40) GRM2SIGMAR1MCHR1GRIN2BHDAC6
SCHEMBL24034801 0.85 IDO1 (0.37) GRM2SIGMAR1MCHR1GRIN2BGRIN1
SCHEMBL30111748 0.85 GRM2 (0.36) GRM2SIGMAR1MCHR1GRIN2BGRIN1
SCHEMBL24034607 0.85 GRM2 (0.35) GRM2SIGMAR1MCHR1GRIN2BGRIN1
SCHEMBL24034906 0.85 GRM2 (0.36) GRM2SIGMAR1MCHR1GRIN2BGRIN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP claimed
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP claimed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN claimed
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP disclosed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRA3, GABRB3 GRM2 64/4885SIGMAR1 145/4885MCHR1 452/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.